TJL0534
 OpenBabel09292510192D

 73 78  0  0  1  0  0  0  0  0999 V2000
  540.6400  138.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  339.1000  142.6300    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  352.7100  145.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  528.5500  145.0300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  331.3600  153.9600    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  379.4000  159.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  403.9200  159.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  453.8100  159.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  478.6500  159.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  503.6000  159.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  528.5500  159.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  340.9500  165.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  366.5500  166.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  416.3400  166.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  441.2900  166.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  490.7400  166.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  540.1000  123.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  362.9500  135.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  553.0600  147.4300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  502.8400  144.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  353.9100  159.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  428.5400  159.6300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  515.3700  169.1100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  390.9500  166.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  465.4700  166.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  337.6800  179.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  236.4600  153.4600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  234.7000  144.1300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  687.9000   71.5000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  674.6500   74.7600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  698.6600   81.1700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  583.1000   85.8400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  568.4400   87.5800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  670.7500   88.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  656.4100   92.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  605.2600   93.3300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  694.7500   95.0700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  680.7400   98.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  615.2500  103.3200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  579.1900  104.0800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  653.2600  106.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  639.2500  109.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  595.2700  111.1400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  609.2800  114.7300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  663.2500  116.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  579.1900  118.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  635.6700  123.7400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  567.0300  125.4800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  591.3600  125.4800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  659.6700  130.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  645.6600  133.7300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  566.7000  139.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  591.6800  139.8200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  669.6600  140.1400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  579.1900  146.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  628.9300  161.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  591.6800  168.3800    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  616.3400  168.8100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  616.3400  182.7100    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  591.6800  182.7100    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  604.1700  189.8800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  646.2000   81.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  628.7200   96.4800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  591.1400   96.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  676.5000  112.2300    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  628.1700  146.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  662.7100  153.6100    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  578.8700  161.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  603.5200  161.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  643.3800  168.2700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  576.1500  189.1200    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  631.2100  189.5600    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  606.5600  204.0000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 17  2  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 28  1  0  0  0  0
  3 18  2  0  0  0  0
  3 21  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 27  1  0  0  0  0
  6 13  1  0  0  0  0
  6 24  1  0  0  0  0
  7 14  1  0  0  0  0
  7 24  1  0  0  0  0
  8 15  1  0  0  0  0
  8 25  1  0  0  0  0
  9 16  1  0  0  0  0
  9 25  1  0  0  0  0
 10 16  1  0  0  0  0
 10 20  2  0  0  0  0
 10 23  1  0  0  0  0
 11 23  1  0  0  0  0
 12 21  1  0  0  0  0
 12 26  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 22  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 34  1  0  0  0  0
 31 37  2  0  0  0  0
 32 33  1  0  0  0  0
 32 64  1  0  0  0  0
 34 35  1  0  0  0  0
 34 38  2  0  0  0  0
 35 41  1  0  0  0  0
 35 62  2  0  0  0  0
 36 39  1  0  0  0  0
 36 64  1  0  0  0  0
 37 38  1  0  0  0  0
 38 65  1  0  0  0  0
 39 63  1  0  0  0  0
 40 46  1  0  0  0  0
 40 64  1  0  0  0  0
 41 42  1  0  0  0  0
 41 45  2  0  0  0  0
 42 47  2  0  0  0  0
 42 63  1  0  0  0  0
 43 44  1  0  0  0  0
 43 64  1  0  0  0  0
 45 50  1  0  0  0  0
 45 65  1  0  0  0  0
 46 48  1  0  0  0  0
 46 49  2  0  0  0  0
 47 51  1  0  0  0  0
 48 52  2  0  0  0  0
 49 53  1  0  0  0  0
 50 51  2  0  0  0  0
 50 54  1  0  0  0  0
 52 55  1  0  0  0  0
 52 19  1  0  0  0  0
 53 55  2  0  0  0  0
 54 67  1  0  0  0  0
 55 68  1  0  0  0  0
 56 66  2  0  0  0  0
 56 70  1  0  0  0  0
 57 60  1  0  0  0  0
 57 68  1  1  0  0  0
 57 69  1  0  0  0  0
 58 56  1  1  0  0  0
 58 59  1  0  0  0  0
 58 69  1  0  0  0  0
 59 61  1  0  0  0  0
 59 72  1  6  0  0  0
 60 61  1  0  0  0  0
 60 71  1  6  0  0  0
 61 73  1  1  0  0  0
M  CHG  1  64   1
M  END
>  <Formula>
C51N5O16S+

$$$$
